| SpectraBase Spectrum ID |
AUe5Ix2x7GK |
| Name |
Methyl tortuosoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O5 |
| InChI |
InChI=1S/C21H32O5/c1-13(2)18-12-19(23)15(4)8-6-7-14(3)9-17(22)10-16(11-20(18)24)21(25)26-5/h10,13-15,18H,6-9,11-12H2,1-5H3/b16-10+/t14-,15+,18-/m1/s1 |
| InChIKey |
FDULQXJIBZLYBH-CJFOREIUSA-N |
| Instrument Name |
Finnigan-MAT-95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np060220b |
| Molecular Weight |
364.482 g/mol |
| Optical Rotation |
[a]D20 = +163.2 (c = 0.75, CHCl3) |
| Reported Formula |
C21H32O5 |
| SMILES |
C1[C@@](C(C[C@@](C(C\C(=C/C(C[C@@](CC1)(C)[H])=O)C(OC)=O)=O)(C(C)C)[H])=O)(C)[H] |
| SPLASH |
splash10-0909-4379000000-da1b3c8f02aa6cf88a25 |
| Source of Spectrum |
G4-70-1164-1 |
| Wiley ID |
1874554 |
